for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CCCCCCNC(=O)N1C=C(C(=O)N(C1=O)C(=O)OCC(C)C)Cl |
|---|---|
| IUPAC Name | 2-methylpropyl 5-chloro-3-(hexylcarbamoyl)-2,6-dioxopyrimidine-1-carboxylate |
| InChIKey | PBVLSEVDIRSYGE-UHFFFAOYSA-N |
| INCHI | 1S/C16H24ClN3O5/c1-4-5-6-7-8-18-14(22)19-9-12(17)13(21)20(15(19)23)16(24)25-10-11(2)3/h9,11H,4-8,10H2,1-3H3,(H,18,22) |
| Molecular Weight | 373.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Hydropyrimidines |
| Direct Parent | Hydropyrimidine carboxylic acids and derivatives |
| Alternative Parents | Pyrimidones Halopyrimidines Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Hydropyrimidine carboxylic acid derivative - Halopyrimidine - Pyrimidone - Aryl chloride - Aryl halide - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group. |
| External Descriptors | Not available |
| Molecular Weight | 373.800 g/mol |
|---|---|
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 373.14 Da |
| Monoisotopic Mass | 373.14 Da |
| Topological Polar Surface Area | 96.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 562.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
